Mono- and bimetallic complexes of pyrazolone based ligand: Synthesis, characterization, antitumor and molecular docking studies

Cu(II), Ni(II), Co(II) and Mn(II) chloro in addition to Cu(II) acetato complexes of the ligand termed 3-amino-4-(2-(3-chlorophenyl)hydrazono)-1H-pyrazol-5(4H)-one (abbreviated as ACHP) have been isolated. The structural features and geometrical arrangements of the synthesized complexes have been identified through applying alternative analytical and spectroscopic tools including elemental analysis, FTIR, conductivity measurements, UV-vis spectra, magnetic moment measurements and thermogravimetric (TG/DTG) techniques. The applied tools joint together confirmed the formation of the metal complexes in the molar ratio 1:1 (L:M) for Cu(II) and Co(II) complexes and 1:2 (L:M) ratio for both of Ni(II) and Mn(II) chelates. The applied spectral techniques also confirmed the metal chelates to have the formulae [Cu(ACHP )Cl-2]center dot 0.5H(2)O, [Cu(ACHP )(CH3COO)(2)], [Ni-2(ACHP)Cl-2(H2O)(2)]Cl-2, [Co(ACHP )Cl-2]center dot 0.5H(2)O and [Mn-2(ACHP)Cl-4]. UV-Vis spectra and mu(eff) values of the metal chelates assured the geometry around the metal ion center to be tetrahedral for all the metal complexes except Cu(II) chloro and acetato complexes which afforded square planar and octahedral geometries, respectively. The molecular docking studies have been performed using 3s7s and 5cei, the co-crystal structures of proteins for breast (MCF-7) and colon (HCT-116) cancer cells, respectively, in addition to the antitumor activity investigations contra the two types of tumor cells. (C) 2021 Elsevier B.V. All rights reserved.